3-methoxy-1,2-dihydronaphthalene

C11H12O — CID 11105653

IUPAC3-methoxy-1,2-dihydronaphthalene
SMILESCOC1=Cc2ccccc2CC1
InChIInChI=1S/C11H12O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3
InChIKeyKAXGJEZZRYHXPJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.62
Rot. Bonds1

About 3-methoxy-1,2-dihydronaphthalene

3-methoxy-1,2-dihydronaphthalene (PubChem CID 11105653) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-methoxy-1,2-dihydronaphthalene
PubChem CID11105653
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3-methoxy-1,2-dihydronaphthalene
SMILESCOC1=Cc2ccccc2CC1
InChIInChI=1S/C11H12O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3
InChIKeyKAXGJEZZRYHXPJ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-methoxy-1,2-dihydronaphthalene (CID 11105653) is 3-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-methoxy-1,2-dihydronaphthalene is COC1=Cc2ccccc2CC1.
What is the InChIKey of 3-methoxy-1,2-dihydronaphthalene?
The InChIKey is KAXGJEZZRYHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-methoxy-1,2-dihydronaphthalene?
3-methoxy-1,2-dihydronaphthalene has a molecular weight of 160.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 11105653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).